N-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide

C31H31NO — CID 42703438

IUPACN-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide
SMILESCC(C)(C)c1ccc(CN(C(=O)c2ccccc2)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H31NO/c1-31(2,3)28-21-19-24(20-22-28)23-32(30(33)27-17-11-6-12-18-27)29(25-13-7-4-8-14-25)26-15-9-5-10-16-26/h4-22,29H,23H2,1-3H3
InChIKeyFCDWAKQOYJXOGZ-UHFFFAOYSA-N
MW433.60 g/mol
LogP7.42
Rot. Bonds6

About N-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide

N-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide (PubChem CID 42703438) has the molecular formula C31H31NO and a molecular weight of 433.60 g/mol. Its IUPAC name is N-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide
PubChem CID42703438
Molecular FormulaC31H31NO
Molecular Weight433.60 g/mol
Exact Mass433.24
IUPAC NameN-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide
SMILESCC(C)(C)c1ccc(CN(C(=O)c2ccccc2)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H31NO/c1-31(2,3)28-21-19-24(20-22-28)23-32(30(33)27-17-11-6-12-18-27)29(25-13-7-4-8-14-25)26-15-9-5-10-16-26/h4-22,29H,23H2,1-3H3
InChIKeyFCDWAKQOYJXOGZ-UHFFFAOYSA-N
XLogP7.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzhydryl-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 42709331
N-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide
CID 177290710
N-benzhydryl-4-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 42710801
N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide
CID 43056971
(3R)-4-(4-tert-butylphenyl)-1,3-diphenylbutan-1-one
CID 101258013
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[4-(dimethylamino)phenyl]methyl]benzamide
CID 118246756
1-[(4-tert-butylphenyl)methyl]-1-(1,2-diphenylethyl)-3-phenylurea
CID 3590389
N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 39757925
N-benzyl-4-tert-butyl-N-pyridin-1-ium-2-ylbenzamide
CID 4142031
N-benzhydryl-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 42709511
N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide
CID 2225639
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide?
The IUPAC name of N-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide (CID 42703438) is N-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide.
What is the SMILES notation for N-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide?
The canonical SMILES for N-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide is CC(C)(C)c1ccc(CN(C(=O)c2ccccc2)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide?
The InChIKey is FCDWAKQOYJXOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO/c1-31(2,3)28-21-19-24(20-22-28)23-32(30(33)27-17-11-6-12-18-27)29(25-13-7-4-8-14-25)26-15-9-5-10-16-26/h4-22,29H,23H2,1-3H3.
What are the key properties of N-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide?
N-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide has a molecular weight of 433.60 g/mol, XLogP of 7.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide is sourced from PubChem (CID 42703438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).